SCHEMBL31073631

SCHEMBL31073631

O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.65
▸ MAPT P10636 6/20 0.65
▸ MEN1 O00255 6/20 0.65
▸ LMNA P02545 5/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ XBP1 P17861 1/20 0.65
▸ NPC1 O15118 6/20 0.60
▸ RAB9A P51151 6/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ HTT P42858 3/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ CASP3 P42574 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54
▸ SENP6 Q9GZR1 1/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ TMPRSS4 Q9NRS4 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ NFKB1 P19838 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2347388 0.84 MEN1 (0.65) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL12443478 0.81 KMT2A (0.72) KMT2AMAPTMEN1LMNANPC1
SCHEMBL28148837 0.80 RAB9A (0.77) KMT2AMAPTMEN1LMNANPC1
SCHEMBL14785061 0.79 MAPT (1.00) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL850791 0.79 MEN1 (1.00) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL29732982 0.78 RXFP1 (0.80) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL12443603 0.78 RXFP1 (0.80) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL23011772 0.76 KCNK3 (0.82) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL1828192 0.76 RAB9A (0.65) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL28844856 0.76 KMT2A (0.74) KMT2AMAPTMEN1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO claimed
WO-2024173715-A1 ANTIFUNGAL COMPOSITIONS AND METHODS OF USE THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-22 — — WO disclosed
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